CID 19597582

Tert-butyl 3-formyl-2-azabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)C1C=O
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-5-4-8(6-9)10(13)7-14/h7-10H,4-6H2,1-3H3
InChIKey
SBGUXKCMANRLIX-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 152.2
[M+Na]+ 248.12571 159.0
[M+NH4]+ 243.17031 159.0
[M+K]+ 264.09965 159.0
[M-H]- 224.12921 149.7
[M+Na-2H]- 246.11116 151.3
[M]+ 225.13594 152.0
[M]- 225.13704 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe